(3Z)-3-[oxidanyl-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione

Systemtic Name: (3Z)-3-[oxidanyl-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione Openeye Name: (3Z)-3-[hydroxy-(phenethylamino)methylene]-2H-isoquinoline-7,8-dione CAS Name: (3Z)-3-[hydroxy-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione IUPAC Name: (3Z)-3-[hydroxy-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione Traditional Name: (3Z)-3-[hydroxy-(phenethylamino)methylene]-2H-isoquinoline-7,8-quinone Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=C2C=C3C=CC(=O)C(=O)C3=CN2)O

Isomeric SMILES

C1=CC=C(C=C1)CCN/C(=C/2\C=C3C=CC(=O)C(=O)C3=CN2)/O

InChI

InChI=1S/C18H16N2O3/c21-16-7-6-13-10-15(20-11-14(13)17(16)22)18(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,19-20,23H,8-9H2/b18-15-